![5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5301/530131-95-4.webp)
5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid
TL;DR: 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid (CAS 530131-95-4) is a chemical compound with molecular formula C19H13BrN2O3S and molecular weight 427.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-(naphthalene-2-carbonylcarbamothioylamino)benzoic acid
Also Known As: 5-BROMO-2-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 5-bromo-2-(naphthalene-2-carbonylcarbamothioylamino)benzoic acid, 5-bromo-2-(naphthalene-2-carbonylthiocarbamoylamino)benzoic Acid, 5-BROMO-2-[[[(2-NAPHTHALENYLCARBONYL)AMINO]THIOXOMETHYL ]AMINO]-BENZOIC ACID
| Molecular Formula | C19H13BrN2O3S |
|---|---|
| Molecular Weight | 427.98 g/mol |
| LogP | 4.4273 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.98303 |
| Heavy Atoms | 26 |
| Complexity | 1036.2229 |
Chemical Identifiers
| CAS Number | 530131-95-4 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)C(=O)NC(=S)NC3=C(C=C(C=C3)Br)C(=O)O |
Product Overview
5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid (CAS 530131-95-4), with molecular formula C19H13BrN2O3S and molecular weight 427.98 g/mol. IUPAC: 5-bromo-2-(naphthalene-2-carbonylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid
Property Insights of 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 4.4273 indicates that 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid is 530131-95-4.
What is the molecular formula of 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid is C19H13BrN2O3S.
What is the molecular weight of 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid is 427.98 g/mol.
Where can I buy 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-[[[(2-naphthalenylcarbonyl)amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.